! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl   0.2787591756  -1.5064352381  -1.3665036668
Cl  -7.7271006414   0.1355173018  -0.7505812892
O    3.0317113060  -0.6348518672  -0.8851866928
O    3.5393156185   0.7046510096   0.8274861454
O   -2.4405140413   2.5048467726   0.1158736936
N    3.7070805696  -2.0755061900   1.4553181910
N    3.9449124910  -3.1690041526   0.7265486748
N    5.7595896134  -2.6151217030   1.9253206688
C    2.5719982804  -0.1859920186   0.3549539557
C    4.0609542104   0.2311911076  -1.3642982753
C    2.4726835456  -1.3447874533   1.3502092382
C    4.0884827591   1.3390767728  -0.3151703644
C    1.2102604370   0.4979102026   0.2429872749
C    5.3660811662  -0.5237863809  -1.4922233273
C    0.1470585938  -0.0134292469  -0.4970888193
C    0.9719584004   1.6731287251   0.9520887510
C   -1.0835199928   0.6234962864  -0.5623789288
C   -0.2490960047   2.3200817534   0.9220544068
C   -1.2777399921   1.7938008972   0.1557811479
C    4.7985752062  -1.7524147563   2.1504983023
C    5.1798852370  -3.4530202230   1.0445777106
C   -3.6452295930   1.8845671998  -0.0986661846
C   -4.5408524153   2.5241452116  -0.9416589285
C   -4.0001871668   0.7091905980   0.5498372340
C   -5.8046594804   1.9904511200  -1.1381444986
C   -5.2584293678   0.1671050690   0.3419025194
C   -6.1522604462   0.8113060948  -0.4993259087
H    3.7618993187   0.6257429786  -2.3383805473
H    1.6918202336  -2.0420631735   1.0552515088
H    2.2062563955  -0.9521565785   2.3313832494
H    5.0928654993   1.6846954733  -0.0733802445
H    3.4855444373   2.2019253214  -0.6162989204
H    6.1195481791   0.1171896667  -1.9513436073
H    5.7453615315  -0.8455616577  -0.5208149509
H    5.2515279988  -1.4042557487  -2.1245262348
H    1.7604922614   2.0965150471   1.5580374324
H   -1.8713359243   0.2017906405  -1.1718888438
H   -0.4001816677   3.2298897975   1.4873177496
H    4.8435139268  -0.9089714212   2.8202737634
H    5.6855900096  -4.3098420778   0.6277799432
H   -4.2584087327   3.4427552178  -1.4385304440
H   -3.3153953139   0.2111584214   1.2237473448
H   -6.5034023682   2.4923041730  -1.7928585383
H   -5.5358416382  -0.7483633456   0.8456029940
*
